Basic information
- CAS
959573-42-3- Standard SMILES
CC(C)(C)OC(=O)N1C[C@H](Cc2ccc3ccccc3c2)C[C@H]1C(=O)O- InChIKey
MXRLDJPRHLSJSL-QAPCUYQASA-N- Molecular formula
- C21H25NO4
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.17835828
Names & identifiers
- Preferred name
- (2S,4R)-1-(tert-Butoxycarbonyl)-4-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxylic acid
- IUPAC
- (2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxylic acid
- English name
- trans-N-Boc-4-(2-naphthylmethyl)-L-proline
- Molecular formula
- C21H25NO4
- Molecular weight
- 355.43
Names & synonyms
959573-42-3(2S,4R)-1-(tert-Butoxycarbonyl)-4-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxylic acidBoc-(R)-gamma-(2-naphthalenylmethyl)-L-proline(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxylic acidMFCD04115785DTXSID20376032(2S,4R)-1-[(tert-butoxy)carbonyl]-4-[(naphthalen-2-yl)methyl]pyrrolidine-2-carboxylic acidMFCD16658816AKOS015949882(2S,4R)-1-tert-butoxycarbonyl-4-(2-naphthylmethyl)pyrrolidine-2-carboxylic acidPS-12663CS-0335839
Show more names
Boc-(R)-3-(2-naphthalenylmethyl)-L-prolinetrans-N-Boc-4-(2-naphthylmethyl)-L-proline,95%(Tert-Butoxy)Carbonyl (R)-γ-(2-naphthalenylmethyl)-L-ProN-(t-Butoxycarbonyl)-trans-4-(2-naphthylmethyl)-L-prolineBoc-(2S,4R)-4-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxylicacid1,2-Pyrrolidinedicarboxylic acid, 4-(2-naphthalenylmethyl)-, 1-(1,1-dimethylethyl) ester, (2S,4R)-
F10074(4R)-1-(tert-Butoxycarbonyl)-4-[(naphthalen-2-yl)methyl]-L-proline(2S,4R)-1-(tert-Butoxycarbonyl)-4-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxylicacid
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 527
Physicochemical properties
- Melting point
- 175 · 175-177℃
- Boiling point
- 528.7 · 528.7±43.0 °C(Predicted)
- Density
- 1.218 · 1.218±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.97 · 3.97±0.40(Predicted)
Chemistry & industry
Suppliers13 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
无锡亚肽生物科技有限公司0510-83583050 13771062561 · [email protected]
上海吉尔多肽有限公司+86-21-61263310 13764994101 · [email protected]
上海英奇曼化学科技有限公司18299177127 · [email protected]
GL Biochem (Shanghai) Ltd.+86-021-61263370 +86-18901917034
吉尔多肽生物制药（大连市）有限公司021-61263455 13167021076 · [email protected]
上海智乾生物科技有限公司[email protected]
康化（上海）新药研发有限公司021-61263370 18516560301 · [email protected]
滨海吉尔多肽有限公司021-61263389 13524856427 · [email protected]
上海梦蓝医药科技有限公司13062660007 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
Related reactions
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No reaction records under the current filter.
Compound notes
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